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Quinizarine Green Ss
CAS: 128-80-3 | C28H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
128-80-3
Molecular Formula:
C28H22N2O2
Molecular Weight:
418.4960000000002 g/mol
Names and Synonyms:
Quinizarine Green Ss
Sudan Green 4B
Parasol Green 5B
1,4-Bis(p-tolylamino)anthracene-9,10-dione
Solvaperm Green GSB
1,4-Bis(4-methylanilino)anthracene-9,10-dione
Transparent Green 5B
KP Plast Green G
DC Green 6
Brown 921
Green 6
Waxoline Green 6GFW
NSC 84207
1,4-Di-(4′-toluidino)anthraquinone
Sandoplast Green GSB
D&C Green No. 6
D 4 (dye)
D 4
Japan Green 202
Oplas Green 533
1,4-Bis(p-tolylamino)anthraquinone
Oil Green 5602
Kayaset Green A-B
Nitro Fast Green GSB
Ceres Green BB
Diaresin Green C
1,4-Bis(4′-methylanilino)anthraquinone
C.I. Disperse Green 6:1
FD and C Green no. 6
1,4-Bis[(4-methylphenyl)amino]anthraquinone
Orient Oil Green 530
Oil Green 530
Sumiplast Green G
Cyanine Green G base
Macrolex Green 5B
Fat Soluble Green Anthraquinone
1,4-Bis-p-toluidino-9,10-anthraquinone
Green No. 202
C-Green 10
Quinazarin green
Organol Green J
Fat Soluble Anthraquinone Green
Solvent Green 3
Amaplast Green OZ
D and C Green No. 6
Waxoline Green G
Toyo Oriental Oil Blue G
Quinizarin Green SS
Quinizarine Green Base
Organol Fast Green J
Nitro Fast Green GB
1,4-Di-p-toluidinoanthraquinone
C.I. Solvent Green 3
Arlosol Green BSS
Arlosol Green BS
Arlosol Green B
Anthraquinone Green G Base
Alizarine Green G Base
Alizarine Cyanine Green G Fat Soluble
Alizarine Cyanine Green Base
Ahcoquinone Cyanine Green Base
C.I. 61565
11091 Green
1,4-Bis[(4-methylphenyl)amino]-9,10-anthracenedione
Anthraquinone, 1,4-di-p-toluidino-
9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]-
Macrolex Green 5B Gran
Q 0021
Mitsui PS Green B
Identifiers:
SMILES:
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1
InChI:
InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 418.50 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Quinizarine_Green_SS None | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4)C)C13)NC5=CC=C(C=C5)C None | Legacy Database |
| cas-inchi | InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=TVRGPOFMYCMNRB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 218 °C None | Legacy Database |
| cas-name | Solvent Green 3 None | Legacy Database |
| wikipedia-name | Quinizarine Green SS None | Legacy Database |
| LogP | 6.566040000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 418.4960000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 418.16812794399993 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.199999999999996 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 128.67240000000004 | RDKit |
